Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | JUN | P05412 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10370773 | 0.90 | CYP2A6 (0.66) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL14775291 | 0.87 | CYP2A6 (0.54) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL13338100 | 0.83 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL6979554 | 0.83 | CYP2A6 (0.61) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL1233284 | 0.81 | CYP2A6 (0.63) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL2252250 | 0.80 | SMN1; SMN2 (0.50) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL4678432 | 0.80 | CYP2A6 (0.53) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL2251923 | 0.80 | KEAP1 (0.73) | CYP2A6SMN1; SMN2MAPTKEAP1NFE2L2 | |
| SCHEMBL3070140 | 0.79 | CYP2A6 (0.61) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL6710511 | 0.79 | CYP2A6 (0.61) | CYP2A6SMN1; SMN2TP53RXFP1MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2570409-B1 | ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANT | SHANGHAI INST PHARM INDUSTRY (CN) | 2015-07-08 | — | — | EP | disclosed |
| US-8962621-B2 | Aralkyl diamine derivatives and uses thereof as antidepressants | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2015-02-24 | — | — | US | disclosed |
| US-20130072488-A1 | ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANTS | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2013-03-21 | — | — | US | disclosed |
| EP-2570409-A1 | ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANT | Shanghai Institute of Pharmaceutical Industry (CN) | 2013-03-20 | — | — | EP | disclosed |
| CN-102241664-A | Aralkyl diamine derivatives and use thereof as antidepressants | SHANGHAI INST PHARM INDUSTRY | 2011-11-16 | — | — | CN | disclosed |
| US-7994333-B2 | Methods and compositions for selectin inhibition | WYETH LLC (US) | 2011-08-09 | — | — | US | disclosed |
| US-7994333-B2 | Methods and compositions for selectin inhibition | WYETH LLC (US) | 2011-08-09 | — | — | US | disclosed |
| US-7994333-B2 | Methods and compositions for selectin inhibition | WYETH LLC (US) | 2011-08-09 | — | — | US | disclosed |
| US-20090069564-A1 | Methods and Compositions for Selectin Inhibition | WYETH (US) | 2009-03-12 | — | — | US | disclosed |
| US-20090069564-A1 | Methods and Compositions for Selectin Inhibition | WYETH (US) | 2009-03-12 | — | — | US | disclosed |
| US-7465798-B2 | Methods and compositions for selectin inhibition | WYETH (US) | 2008-12-16 | — | — | US | disclosed |
| US-7465798-B2 | Methods and compositions for selectin inhibition | WYETH (US) | 2008-12-16 | — | — | US | disclosed |
| US-7465798-B2 | Methods and compositions for selectin inhibition | WYETH (US) | 2008-12-16 | — | — | US | disclosed |
| US-20080125454-A1 | preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale | WYETH (US) | 2008-05-29 | — | — | US | disclosed |
| US-20080125454-A1 | preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale | WYETH (US) | 2008-05-29 | — | — | US | disclosed |
| US-20080125454-A1 | preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale | WYETH (US) | 2008-05-29 | — | — | US | disclosed |
| WO-2008043075-A2 | COMPOSITIONS FOR THE TREATMENT OF SCLERITIS | WYETH (US) | 2008-04-10 | — | — | WO | disclosed |
| EP-1682510-A2 | METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION | Wyeth (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005047258-A2 | METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION | WYETH (US) | 2005-05-26 | — | — | WO | disclosed |
| US-20050101569-A1 | Methods and compositions for selectin inhibition | WYETH (US) | 2005-05-12 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130072488-A1 | ARALKYL DIAMINE DERIVATIVES AND USES THEREOF AS ANTIDEPRESSANTS | MAOA, SLC6A2, MAOB | CYP2A6 507/4885SMN1; SMN2 2852/4885TP53 4885/4885 |
| US-20080125454-A1 | preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale | SELL, VCAM1, SELE | CYP2A6 1445/4885SMN1; SMN2 1874/4885TP53 4466/4885 |
| US-20090069564-A1 | Methods and Compositions for Selectin Inhibition | SELP, SELE, SELL | CYP2A6 2377/4885SMN1; SMN2 2880/4885TP53 4382/4885 |
| US-20050101569-A1 | Methods and compositions for selectin inhibition | SELP, SELE, SELL | CYP2A6 2377/4885SMN1; SMN2 2880/4885TP53 4382/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.